| SpectraBase Spectrum ID |
KEPpSOdrrR5 |
| Name |
4,6-bis[4-((4-(Diphenylamino)phenyl) ethynyl)phenyl]dibenzo[B,D]thiophene |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
870.306870534 u |
| Formula |
C64H42N2S |
| InChI |
InChI=1S/C64H42N2S/c1-5-15-53(16-6-1)65(54-17-7-2-8-18-54)57-43-35-49(36-44-57)29-27-47-31-39-51(40-32-47)59-23-13-25-61-62-26-14-24-60(64(62)67-63(59)61)52-41-33-48(34-42-52)28-30-50-37-45-58(46-38-50)66(55-19-9-3-10-20-55)56-21-11-4-12-22-56/h1-26,31-46H |
| InChIKey |
RUJIFPQFFVYEOF-UHFFFAOYSA-N |
| Molecular Weight |
871.114 g/mol |
| SMILES |
C=12SC=3C(C2=CC=CC1C1=CC=C(C#CC=2C=CC(N(C=4C=CC=CC4)C=4C=CC=CC4)=CC2)C=C1)=CC=CC3C1=CC=C(C#CC=2C=CC(N(C=3C=CC=CC3)C=3C=CC=CC3)=CC2)C=C1 |
![4,6-Bis[4-((4-(diphenylamino)phenyl) ethynyl)phenyl]dibenzo[b,d]thiophene](/api/spectrum/KEPpSOdrrR5/structure.png?h=300&w=458 "4,6-Bis[4-((4-(diphenylamino)phenyl) ethynyl)phenyl]dibenzo[b,d]thiophene")
